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Information card for entry 2239447
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| Coordinates | 2239447.cif |
|---|---|
| Structure factors | 2239447.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Hydroxy-5-methoxy-<i>N</i>,1-dimethyl-2-oxo-<i>N</i>-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide |
|---|---|
| Formula | C20 H17 F3 N2 O4 |
| Calculated formula | C20 H17 F3 N2 O4 |
| SMILES | COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C |
| Title of publication | 4-Hydroxy-5-methoxy-<i>N</i>,1-dimethyl-2-oxo-<i>N</i>-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide |
| Authors of publication | Akinboye, Emmanuel S.; Butcher, Ray J.; Yildirim, Sema Ozturk; Isaacs, John T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o297 - o298 |
| a | 10.8643 ± 0.0009 Å |
| b | 10.6705 ± 0.0009 Å |
| c | 15.8062 ± 0.0013 Å |
| α | 90° |
| β | 105.696 ± 0.009° |
| γ | 90° |
| Cell volume | 1764 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239447.cif 2239447.hkl |
| 181313 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/94. |
2239447.cif 2239447.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239447.cif 2239447.hkl |
| 110730 | 2014-04-19 | cif/ hkl/ Adding structures of 2239447 via cif-deposit CGI script. |
2239447.cif 2239447.hkl |
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